sodium [1-diethoxyphosphoryl-3-(1-methyl-6-oxidanylidene-4-phenyl-pyrimidin-2-yl)propyl]-ethoxy-phosphinate

Systemtic Name: sodium [1-diethoxyphosphoryl-3-(1-methyl-6-oxidanylidene-4-phenyl-pyrimidin-2-yl)propyl]-ethoxy-phosphinate Openeye Name: sodium [1-diethoxyphosphoryl-3-(1-methyl-6-oxo-4-phenyl-pyrimidin-2-yl)propyl]-ethoxy-phosphinate CAS Name: sodium [1-diethoxyphosphoryl-3-(1-methyl-6-oxo-4-phenyl-2-pyrimidinyl)propyl]-ethoxyphosphinate IUPAC Name: sodium [1-diethoxyphosphoryl-3-(1-methyl-6-oxo-4-phenylpyrimidin-2-yl)propyl]-ethoxyphosphinate Traditional Name: sodium [1-diethoxyphosphoryl-3-(6-keto-1-methyl-4-phenyl-pyrimidin-2-yl)propyl]-ethoxy-phosphinate Formula: C20H29N2NaO7P2 MolecularWeight: 494.390752

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCC1=NC(=CC(=O)N1C)C2=CC=CC=C2)P(=O)(OCC)OCC)[O-].[Na+]

Isomeric SMILES

CCOP(=O)(C(CCC1=NC(=CC(=O)N1C)C2=CC=CC=C2)P(=O)(OCC)OCC)[O-].[Na+]

InChI

InChI=1S/C20H30N2O7P2.Na/c1-5-27-30(24,25)20(31(26,28-6-2)29-7-3)14-13-18-21-17(15-19(23)22(18)4)16-11-9-8-10-12-16;/h8-12,15,20H,5-7,13-14H2,1-4H3,(H,24,25);/q;+1/p-1